(4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one

C9H8N2O2S — CID 135445604

IUPAC(4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one
SMILESCSC1=N/C(=C/c2ccco2)C(=O)N1
InChIInChI=1S/C9H8N2O2S/c1-14-9-10-7(8(12)11-9)5-6-3-2-4-13-6/h2-5H,1H3,(H,10,11,12)/b7-5+
InChIKeyZRGUIERVLVHPCB-FNORWQNLSA-N
MW208.24 g/mol
LogP1.47
Rot. Bonds1

About (4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one

(4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one (PubChem CID 135445604) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is (4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one
PubChem CID135445604
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name(4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one
SMILESCSC1=N/C(=C/c2ccco2)C(=O)N1
InChIInChI=1S/C9H8N2O2S/c1-14-9-10-7(8(12)11-9)5-6-3-2-4-13-6/h2-5H,1H3,(H,10,11,12)/b7-5+
InChIKeyZRGUIERVLVHPCB-FNORWQNLSA-N
XLogP1.47
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one?
The IUPAC name of (4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one (CID 135445604) is (4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one is CSC1=N/C(=C/c2ccco2)C(=O)N1.
What is the InChIKey of (4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one?
The InChIKey is ZRGUIERVLVHPCB-FNORWQNLSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-14-9-10-7(8(12)11-9)5-6-3-2-4-13-6/h2-5H,1H3,(H,10,11,12)/b7-5+.
What are the key properties of (4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one?
(4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one has a molecular weight of 208.24 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(furan-2-ylmethylidene)-2-methylsulfanyl-1H-imidazol-5-one is sourced from PubChem (CID 135445604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).